5-nitro-2-[3-[4-(phenylmethyl)piperazin-1-yl]propylamino]pyridine-3-carbonitrile

Systemtic Name: 5-nitro-2-[3-[4-(phenylmethyl)piperazin-1-yl]propylamino]pyridine-3-carbonitrile Openeye Name: 2-[3-(4-benzylpiperazin-1-yl)propylamino]-5-nitro-pyridine-3-carbonitrile CAS Name: 5-nitro-2-[3-[4-(phenylmethyl)-1-piperazinyl]propylamino]-3-pyridinecarbonitrile IUPAC Name: 2-[3-(4-benzylpiperazin-1-yl)propylamino]-5-nitropyridine-3-carbonitrile Traditional Name: 2-[3-(4-benzylpiperazino)propylamino]-5-nitro-nicotinonitrile Formula: C20H24N6O2 MolecularWeight: 380.44356

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCNC2=NC=C(C=C2C#N)[N+](=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1CCCNC2=NC=C(C=C2C#N)[N+](=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C20H24N6O2/c21-14-18-13-19(26(27)28)15-23-20(18)22-7-4-8-24-9-11-25(12-10-24)16-17-5-2-1-3-6-17/h1-3,5-6,13,15H,4,7-12,16H2,(H,22,23)